2-methyl-N-[[(3R)-8-(thiophen-3-ylmethyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[[(3R)-8-(thiophen-3-ylmethyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[[(3R)-8-(3-thienylmethyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[(3R)-8-(3-thiophenylmethyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[[(3R)-8-(thiophen-3-ylmethyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[[(3R)-8-(3-thenyl)-4-oxa-8-azoniaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NCC2CCC3(O2)CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC[C@H]2CCC3(O2)CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C19H26N4O2S/c1-22-17(3-8-21-22)18(24)20-12-16-2-5-19(25-16)6-9-23(10-7-19)13-15-4-11-26-14-15/h3-4,8,11,14,16H,2,5-7,9-10,12-13H2,1H3,(H,20,24)/p+1/t16-/m1/s1